(2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C14H22N2O2 — CID 127287742

IUPAC(2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCC(=O)N1)C1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-8(11-7-9-2-3-10(11)6-9)15-14(18)12-4-5-13(17)16-12/h8-12H,2-7H2,1H3,(H,15,18)(H,16,17)/t8?,9?,10?,11?,12-/m1/s1
InChIKeyJWHUADJGEYXIIE-MGEHAVSKSA-N
MW250.34 g/mol
LogP1.21
Rot. Bonds3

About (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 127287742) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID127287742
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCC(=O)N1)C1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-8(11-7-9-2-3-10(11)6-9)15-14(18)12-4-5-13(17)16-12/h8-12H,2-7H2,1H3,(H,15,18)(H,16,17)/t8?,9?,10?,11?,12-/m1/s1
InChIKeyJWHUADJGEYXIIE-MGEHAVSKSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 127287742) is (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide is CC(NC(=O)[C@H]1CCC(=O)N1)C1CC2CCC1C2.
What is the InChIKey of (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JWHUADJGEYXIIE-MGEHAVSKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8(11-7-9-2-3-10(11)6-9)15-14(18)12-4-5-13(17)16-12/h8-12H,2-7H2,1H3,(H,15,18)(H,16,17)/t8?,9?,10?,11?,12-/m1/s1.
What are the key properties of (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 127287742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).